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Ligand

NameCHEMBL394420
Molecular formulaC35H38N4O3S
IUPAC nameN-[2-[[(2R)-1-oxo-3-phenyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-1-benzothiophene-2-carboxamide
Molecular weight594.774
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP6.0
SynonymsBDBM50002936
Inchi KeyAVFCWIYMFNPMIP-GDLZYMKVSA-N
Inchi IDInChI=1S/C35H38N4O3S/c40-32(36-17-10-20-39-18-8-9-19-39)29(21-25-11-2-1-3-12-25)37-34(42)35(23-27-14-4-5-15-28(27)24-35)38-33(41)31-22-26-13-6-7-16-30(26)43-31/h1-7,11-16,22,29H,8-10,17-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1
PubChem CID44434203
ChEMBLCHEMBL394420
IUPHARN/A
BindingDB50002936
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15241Substance-K receptorP21452TACR2Homo sapiens (Human)398
15242Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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